SCHEMBL6828021

SCHEMBL6828021

COc1ccccc1-c1ccc(NCC[N+](C)(C)CC(=O)N2CCCC2C#N)nc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.50
DPP7 Q9UHL4 2/20 0.50
DPP8 Q6V1X1 1/20 0.50
PREP P48147 5/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6828316 0.90 DPP4 (0.48) DPP4DPP7DPP8PREP
SCHEMBL6827950 0.89 DPP4 (0.52) DPP4DPP7DPP8PREP
SCHEMBL663965 0.87 DPP4 (0.67) DPP4DPP7DPP8PREP
SCHEMBL4594545 0.87 DPP4 (0.67) DPP4DPP7DPP8PREP
SCHEMBL6828187 0.87 PREP (0.51) DPP4DPP7DPP8PREP
SCHEMBL6824904 0.86 DPP4 (0.47) DPP4DPP7DPP8PREP
SCHEMBL4593211 0.85 DPP4 (0.51) DPP4DPP7DPP8PREP
SCHEMBL6828531 0.85 DPP4 (0.62) DPP4DPP7DPP8PREP
SCHEMBL6827820 0.84 DPP4 (0.65) DPP4DPP7DPP8
SCHEMBL6828453 0.83 DPP4 (0.56) DPP4DPP7DPP8PREP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO disclosed